N-[(4-chlorophenyl)methyl]-N-[1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]butanamide

C20H24ClN3O2 — CID 133149417

IUPACN-[(4-chlorophenyl)methyl]-N-[1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]butanamide
SMILESCCCC(=O)N(Cc1ccc(Cl)cc1)C(C)C(=O)NCc1cccnc1
InChIInChI=1S/C20H24ClN3O2/c1-3-5-19(25)24(14-16-7-9-18(21)10-8-16)15(2)20(26)23-13-17-6-4-11-22-12-17/h4,6-12,15H,3,5,13-14H2,1-2H3,(H,23,26)
InChIKeyWGSOFOZVWJKAGT-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.57
Rot. Bonds8

About N-[(4-chlorophenyl)methyl]-N-[1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]butanamide

N-[(4-chlorophenyl)methyl]-N-[1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]butanamide (PubChem CID 133149417) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-[1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]butanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-[1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]butanamide
PubChem CID133149417
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC NameN-[(4-chlorophenyl)methyl]-N-[1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]butanamide
SMILESCCCC(=O)N(Cc1ccc(Cl)cc1)C(C)C(=O)NCc1cccnc1
InChIInChI=1S/C20H24ClN3O2/c1-3-5-19(25)24(14-16-7-9-18(21)10-8-16)15(2)20(26)23-13-17-6-4-11-22-12-17/h4,6-12,15H,3,5,13-14H2,1-2H3,(H,23,26)
InChIKeyWGSOFOZVWJKAGT-UHFFFAOYSA-N
XLogP3.57
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-chlorophenyl)methyl]-N-[1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-(pyridin-3-ylmethyl)propanamide
CID 133149502
N-[(4-chlorophenyl)methyl]-N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]butanamide
CID 133149410
N-benzyl-2-methyl-N-[1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]propanamide
CID 133148944
2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(pyridin-4-ylmethyl)propanamide
CID 133149475
2-[benzyl-(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)propanamide
CID 133149053
N-[(4-methoxyphenyl)methyl]-N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]butanamide
CID 133213552
N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-N-[(4-chlorophenyl)methyl]butanamide
CID 132700122
2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)propanamide
CID 133213694
2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(pyridin-3-ylmethyl)propanamide
CID 133213379
2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-propylpropanamide
CID 132656046
2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-propylpropanamide
CID 132656017
(2S)-2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 125046670

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-[1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]butanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-[1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]butanamide (CID 133149417) is N-[(4-chlorophenyl)methyl]-N-[1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]butanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-[1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]butanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-[1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]butanamide is CCCC(=O)N(Cc1ccc(Cl)cc1)C(C)C(=O)NCc1cccnc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-[1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]butanamide?
The InChIKey is WGSOFOZVWJKAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-3-5-19(25)24(14-16-7-9-18(21)10-8-16)15(2)20(26)23-13-17-6-4-11-22-12-17/h4,6-12,15H,3,5,13-14H2,1-2H3,(H,23,26).
What are the key properties of N-[(4-chlorophenyl)methyl]-N-[1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]butanamide?
N-[(4-chlorophenyl)methyl]-N-[1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]butanamide has a molecular weight of 373.88 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-[1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]butanamide is sourced from PubChem (CID 133149417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).